SCHEMBL8528310

SCHEMBL8528310

CCCCCCCCCCCCCCC(C)(CC(=O)O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
HIF1A Q16665 1/20 0.58
TDP1 Q9NUW8 3/20 0.52
FFAR1 O14842 2/20 0.52
CPT2 P23786 1/20 0.52
GPR84 Q9NQS5 7/20 0.45
PPARG P37231 7/20 0.45
PPARD Q03181 7/20 0.45
PPARA Q07869 7/20 0.45
HDAC11 Q96DB2 5/20 0.45
PTPN1 P18031 3/20 0.45
ALDH1A1 P00352 2/20 0.45
TLR2 O60603 2/20 0.45
FABP4 P15090 2/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
MEN1 O00255 1/20 0.45
ESR1 P03372 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6755326 1.00 TSHR (0.58) TSHRCYP2D6CYP2C19HIF1ATDP1
SCHEMBL6758048 1.00 TSHR (0.58) TSHRCYP2D6CYP2C19HIF1ATDP1
SCHEMBL6756932 1.00 TSHR (0.58) TSHRCYP2D6CYP2C19HIF1ATDP1
SCHEMBL13861278 1.00 TSHR (0.58) TSHRCYP2D6CYP2C19HIF1ATDP1
SCHEMBL6861770 0.98 TSHR (0.60) TSHRCYP2D6CYP2C19HIF1ATDP1
SCHEMBL18114142 0.98 TSHR (0.60) TSHRCYP2D6CYP2C19HIF1ATDP1
SCHEMBL2138191 0.92 TSHR (0.62) TSHRCYP2D6CYP2C19HIF1ATDP1
SCHEMBL6855600 0.92 TSHR (0.62) TSHRCYP2D6CYP2C19HIF1ATDP1
SCHEMBL31109125 0.88 TDP1 (0.42) TSHRCYP2D6CYP2C19HIF1ATDP1
SCHEMBL25272453 0.87 CES2 (0.47) TSHRTDP1FFAR1GPR84PPARG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5844103-A Anionic glycasuccinamide sufactants and a process for their manufacture LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1998-12-01 US disclosed
US-5786468-A NONIONIC SURFACTANTS DERIVED FROM CARBOHYDRATES FOR SHAMPOO, DEODORANTS OR CLEANING COMPOUNDS LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1998-07-28 US disclosed